COMM Y2O3 - Le Bail Fitting - IUCr CPD Round Robin, et.al- Philips XRD ! Files => DAT-file: y2o3leb, PCR-file: y2o3leb !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor 0 5 1 11 2 0 1 1 0 0 1 0 0 1 0 0 0 ! !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 Syo Prf Ins Rpa Sym Hkl Fou Sho Ana 0 0 1 0 1 0 0 0 1 1 0 1 0 1 2 0 0 ! ! lambda1 Lambda2 Ratio Bkpos Wdt Cthm muR AsyLim Rpolarz 1.540560 1.544390 0.5000 90.0000 12.0000 0.7998 0.0000 90.00 0.5000 ! !NCY Eps R_at R_an R_pr R_gl Thmin Step Thmax PSD Sent0 20 0.01 0.20 0.20 0.20 0.20 5.0000 0.0200 150.0000 0.000 0.000 ! ! 2Theta/TOF Background 5.058 470.769 9.634 243.517 14.656 156.484 18.228 122.637 23.696 98.462 45.013 79.121 67.893 64.615 88.278 87.912 111.883 87.912 130.340 105.495 149.676 130.110 ! ! Excluded regions (LowT HighT) 15.00 16.00 23.00 24.00 ! ! 0 !Number of refined parameters ! ! Zero Code Sycos Code Sysin Code Lambda Code MORE 0.0150 11.00 0.0000 0.00 0.0000 0.00 0.000000 0.00 0 !------------------------------------------------------------------------------- ! Data for PHASE number: 1 ==> Current R_Bragg: 1.69 !------------------------------------------------------------------------------- Y2O3 ! !Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 0 0 0 1.0 0.0 0.0 2 0 0 0 0 0.00 0 5 0 ! I A 3 <--Space group symbol ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 0.10000E-03 0.5447 0.0000 0.0000 0.0000 0.0000 0 0.00000 41.00 0.00 0.00 0.00 0.00 ! U V W X Y GauSiz LorSiz Size-Model 0.00789 -0.00499 0.01180 0.00000 0.00000 0.00000 0.00000 0 61.00 51.00 31.00 0.00 0.00 0.00 0.00 ! a b c alpha beta gamma 10.602336 10.602336 10.602336 90.000000 90.000000 90.000000 21.00000 21.00000 21.00000 0.00000 0.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 1.00000 0.00000 0.11281 0.04488 0.00000 0.00000 0.00 0.00 71.00 81.00 0.00 0.00 ! Hard limits for selected parameters: 1 -0.2000 0.2000